3-Benzoyluracil
TL;DR: 3-Benzoyluracil (CAS 2775-87-3) is a chemical compound with molecular formula C11H8N2O3 and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzoyl-1H-pyrimidine-2,4-dione
Also Known As: 3-Benzoyluracil, 3-benzoylpyrimidine-2,4(1h,3h)-dione, N3-benzoyluracil, 3-benzoyl-1H-pyrimidine-2,4-dione, 2,4(1H,3H)-Pyrimidinedione, 3-benzoyl-
| Molecular Formula | C11H8N2O3 |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.0535 |
| Heavy Atoms | 16 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 2775-87-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N2C(=O)C=CNC2=O |
| InChIKey | RJAJHSYADHZMNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzoyluracil (CAS 2775-87-3), with molecular formula C11H8N2O3 and molecular weight 216.05 g/mol. IUPAC: 3-benzoyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 3-Benzoyluracil
Property Insights of 3-Benzoyluracil
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzoyluracil. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzoyluracil. Following Lipinski's Rule of Five, 3-Benzoyluracil has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Benzoyluracil?
The CAS number of 3-Benzoyluracil is 2775-87-3.
What is the molecular formula of 3-Benzoyluracil?
The molecular formula of 3-Benzoyluracil is C11H8N2O3.
What is the molecular weight of 3-Benzoyluracil?
The molecular weight of 3-Benzoyluracil is 216.05 g/mol.
Where can I buy 3-Benzoyluracil?
You can request a quote for 3-Benzoyluracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoyluracil?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyluracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.